6-methyl-2H-1,4-thiazine

C5H7NS — CID 130413107

IUPAC6-methyl-2H-1,4-thiazine
SMILESCC1=CN=CCS1
InChIInChI=1S/C5H7NS/c1-5-4-6-2-3-7-5/h2,4H,3H2,1H3
InChIKeyDKPVXHWKJCJYOD-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.67
Rot. Bonds

About 6-methyl-2H-1,4-thiazine

6-methyl-2H-1,4-thiazine (PubChem CID 130413107) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 6-methyl-2H-1,4-thiazine.

Molecular Properties

Compound Name6-methyl-2H-1,4-thiazine
PubChem CID130413107
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name6-methyl-2H-1,4-thiazine
SMILESCC1=CN=CCS1
InChIInChI=1S/C5H7NS/c1-5-4-6-2-3-7-5/h2,4H,3H2,1H3
InChIKeyDKPVXHWKJCJYOD-UHFFFAOYSA-N
XLogP1.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2H-1,4-thiazine?
The IUPAC name of 6-methyl-2H-1,4-thiazine (CID 130413107) is 6-methyl-2H-1,4-thiazine.
What is the SMILES notation for 6-methyl-2H-1,4-thiazine?
The canonical SMILES for 6-methyl-2H-1,4-thiazine is CC1=CN=CCS1.
What is the InChIKey of 6-methyl-2H-1,4-thiazine?
The InChIKey is DKPVXHWKJCJYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-5-4-6-2-3-7-5/h2,4H,3H2,1H3.
What are the key properties of 6-methyl-2H-1,4-thiazine?
6-methyl-2H-1,4-thiazine has a molecular weight of 113.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2H-1,4-thiazine is sourced from PubChem (CID 130413107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).